2,4-dimethylazete

C5H7N — CID 59593609

IUPAC2,4-dimethylazete
SMILESCC1=CC(C)=N1
InChIInChI=1S/C5H7N/c1-4-3-5(2)6-4/h3H,1-2H3
InChIKeyCFKSMORLXDDNRD-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.36
Rot. Bonds

About 2,4-dimethylazete

2,4-dimethylazete (PubChem CID 59593609) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2,4-dimethylazete.

Molecular Properties

Compound Name2,4-dimethylazete
PubChem CID59593609
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2,4-dimethylazete
SMILESCC1=CC(C)=N1
InChIInChI=1S/C5H7N/c1-4-3-5(2)6-4/h3H,1-2H3
InChIKeyCFKSMORLXDDNRD-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylazete?
The IUPAC name of 2,4-dimethylazete (CID 59593609) is 2,4-dimethylazete.
What is the SMILES notation for 2,4-dimethylazete?
The canonical SMILES for 2,4-dimethylazete is CC1=CC(C)=N1.
What is the InChIKey of 2,4-dimethylazete?
The InChIKey is CFKSMORLXDDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-4-3-5(2)6-4/h3H,1-2H3.
What are the key properties of 2,4-dimethylazete?
2,4-dimethylazete has a molecular weight of 81.12 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylazete is sourced from PubChem (CID 59593609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).